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6szq
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of human DDAH-1== | |
| + | <StructureSection load='6szq' size='340' side='right'caption='[[6szq]], [[Resolution|resolution]] 2.41Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6szq]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6SZQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6SZQ FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.412Å</td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6szq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6szq OCA], [https://pdbe.org/6szq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6szq RCSB], [https://www.ebi.ac.uk/pdbsum/6szq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6szq ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/DDAH1_HUMAN DDAH1_HUMAN] Hydrolyzes N(G),N(G)-dimethyl-L-arginine (ADMA) and N(G)-monomethyl-L-arginine (MMA) which act as inhibitors of NOS. Has therefore a role in the regulation of nitric oxide generation. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | N-(4-aminobutyl)-N'-(2-methoxyethyl)guanidine (8a) is as a potent inhibitor targeting the hDDAH-1 active site (Ki = 18 microM) and derived from a series of guanidine- and amidine-based inhibitors. Its non-amino acid nature leads to high selectivities towards other enzymes of the nitric oxide-modulating system. Crystallographic data of 8a-bound hDDAH-1 illuminated a unique binding mode. Together with its developed N-hydroxyguanidine prodrug 11, 8a will serve as a most widely applicable, currently available pharmacological tool to target DDAH-1-associated diseases. | ||
| - | + | Discovery of N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine as the First Selective, Non-Amino Acid, Catalytic Site Inhibitor of human dimethylarginine dimethylaminohydrolase-1 (hDDAH-1).,Lunk I, Litty FA, Hennig S, Vetter IR, Kotthaus J, Altmann KS, Ott G, Havemeyer A, Carrillo Garcia C, Clement B, Schade D J Med Chem. 2019 Dec 16. doi: 10.1021/acs.jmedchem.9b01230. PMID:31841335<ref>PMID:31841335</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| + | <div class="pdbe-citations 6szq" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Hennig S]] | ||
| + | [[Category: Schade D]] | ||
| + | [[Category: Vetter IR]] | ||
Current revision
Crystal structure of human DDAH-1
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